| SpectraBase Compound ID | B4mKhmFor5s |
|---|---|
| InChI | InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9- |
| InChIKey | HVGRZDASOHMCSK-HZJYTTRNSA-N |
| Mol Weight | 336.6 g/mol |
| Molecular Formula | C22H40O2 |
| Exact Mass | 336.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35IQiuUUUAP |
|---|---|
| Name | cis-13,16-Docasadienoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.302830526 u |
| Formula | C22H40O2 |
| InChI | InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9- |
| InChIKey | HVGRZDASOHMCSK-HZJYTTRNSA-N |
| Molecular Weight | 336.560 g/mol |
| SMILES | C(CCCCCCCCCC(=O)O)C\C=C/C\C=C/CCCCC |